4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid

C11H21NO2 — CID 23523807

IUPAC4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-8(2)12-7-9-3-5-10(6-4-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyRWNLDAKDBIRNDC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid

4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 23523807) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID23523807
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-8(2)12-7-9-3-5-10(6-4-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyRWNLDAKDBIRNDC-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Aminomethyl)cyclohexanecarboxylic acid
CID 5526
4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
(4-Carboxycyclohexyl)methylazanium
CID 444434
4-Piperidine butyric acid hydrochloride
CID 16217040
4-(Piperidin-4-yl)butanoic acid
CID 5167702
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 14901341
4-(2-Methylpiperidin-4-yl)butanoic acid--hydrogen chloride (1/1)
CID 3051311
(1r,4r)-4-(Methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 58319709
cis-(1R,2S)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 14901340
rac-(2R,5R)-5-(2-methylpropyl)piperidine-2-carboxylic acid
CID 145912997
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 171338316

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid (CID 23523807) is 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid is CC(C)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RWNLDAKDBIRNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-7-9-3-5-10(6-4-9)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23523807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).